| CAS Number | 107445-22-7 |
| Catalog Number | AG01EJMN(AGN-PC-0NWNH7) |
| Chemical Name | (E)-[1-(pyridin-4-yl)ethylidene]amino 4-methylbenzene-1-sulfonate |
| IUPAC Name | [(E)-1-pyridin-4-ylethylideneamino] 4-methylbenzenesulfonate |
| InChI | InChI=1S/C14H14N2O3S/c1-11-3-5-14(6-4-11)20(17,18)19-16-12(2)13-7-9-15-10-8-13/h3-10H,1-2H3/b16-12+ |
| InChI Key | GOBHWEKJWDUUQS-FOWTUZBSSA-N |
| MDL Number | MFCD28990331 |
| Molecular Formula | C14H14N2O3S |
| Molecular Weight | 290.3376 |
| SMILES | C/C(/C1=CC=NC=C1)=NOS(C1=CC=C(C)C=C1)(=O)=O |
| Synonyms | SCHEMBL7296406,
(E)-[1-(pyridin-4-yl)ethylidene]amino 4-methylbenzene-1-sulfonate,
107445-22-7,
|
| Complexity | 428 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 290.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.337g/mol |
| Monoisotopic Mass | 290.073g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 77A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number